N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine

C22H22BrN5O — CID 5328289

IUPACN-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(ccn4CCN4CCOCC4)cc23)c1
InChIInChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)
InChIKeySZOXQULADAMXOQ-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.42
Rot. Bonds5

About N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine

N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328289) has the molecular formula C22H22BrN5O and a molecular weight of 452.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328289
Molecular FormulaC22H22BrN5O
Molecular Weight452.36 g/mol
Exact Mass451.10
IUPAC NameN-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(ccn4CCN4CCOCC4)cc23)c1
InChIInChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)
InChIKeySZOXQULADAMXOQ-UHFFFAOYSA-N
XLogP4.42
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine (CID 5328289) is N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4c(ccn4CCN4CCOCC4)cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is SZOXQULADAMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26).
What are the key properties of N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 452.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-(2-morpholin-4-ylethyl)pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).